Found 34 hits with Last Name = 'fröhner' and Initial = 'w' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353649
(CHEMBL1829835)Show SMILES OC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H13Cl2IN2O2/c18-12-3-1-9(5-13(12)19)10(7-17(23)24)6-16-21-14-4-2-11(20)8-15(14)22-16/h1-5,8,10H,6-7H2,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353651
(CHEMBL1829841)Show SMILES CC(C)(C)c1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1 Show InChI InChI=1S/C21H23IN2O2/c1-21(2,3)15-6-4-13(5-7-15)14(11-20(25)26)10-19-23-17-9-8-16(22)12-18(17)24-19/h4-9,12,14H,10-11H2,1-3H3,(H,23,24)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353647
(CHEMBL1829832)Show SMILES OC(=O)CC(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13Cl3N2O2/c18-11-3-1-9(2-4-11)10(6-16(23)24)5-15-21-14-8-12(19)7-13(20)17(14)22-15/h1-4,7-8,10H,5-6H2,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353652
(CHEMBL1829842)Show SMILES CCCc1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1 Show InChI InChI=1S/C20H21IN2O2/c1-2-3-13-4-6-14(7-5-13)15(11-20(24)25)10-19-22-17-9-8-16(21)12-18(17)23-19/h4-9,12,15H,2-3,10-11H2,1H3,(H,22,23)(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353653
(CHEMBL1829843)Show SMILES OC(=O)CC(Cc1nc2ccc(cc2[nH]1)-c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClN2O2/c24-19-9-6-16(7-10-19)18(14-23(27)28)13-22-25-20-11-8-17(12-21(20)26-22)15-4-2-1-3-5-15/h1-12,18H,13-14H2,(H,25,26)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353649
(CHEMBL1829835)Show SMILES OC(=O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H13Cl2IN2O2/c18-12-3-1-9(5-13(12)19)10(7-17(23)24)6-16-21-14-4-2-11(20)8-15(14)22-16/h1-5,8,10H,6-7H2,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353653
(CHEMBL1829843)Show SMILES OC(=O)CC(Cc1nc2ccc(cc2[nH]1)-c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClN2O2/c24-19-9-6-16(7-10-19)18(14-23(27)28)13-22-25-20-11-8-17(12-21(20)26-22)15-4-2-1-3-5-15/h1-12,18H,13-14H2,(H,25,26)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353651
(CHEMBL1829841)Show SMILES CC(C)(C)c1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1 Show InChI InChI=1S/C21H23IN2O2/c1-21(2,3)15-6-4-13(5-7-15)14(11-20(25)26)10-19-23-17-9-8-16(22)12-18(17)24-19/h4-9,12,14H,10-11H2,1-3H3,(H,23,24)(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353653
(CHEMBL1829843)Show SMILES OC(=O)CC(Cc1nc2ccc(cc2[nH]1)-c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClN2O2/c24-19-9-6-16(7-10-19)18(14-23(27)28)13-22-25-20-11-8-17(12-21(20)26-22)15-4-2-1-3-5-15/h1-12,18H,13-14H2,(H,25,26)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353653
(CHEMBL1829843)Show SMILES OC(=O)CC(Cc1nc2ccc(cc2[nH]1)-c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClN2O2/c24-19-9-6-16(7-10-19)18(14-23(27)28)13-22-25-20-11-8-17(12-21(20)26-22)15-4-2-1-3-5-15/h1-12,18H,13-14H2,(H,25,26)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353650
(CHEMBL1829837)Show SMILES OC(=O)CC(Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C18H13Cl2F3N2O2/c19-11-2-4-14-15(8-11)25-16(24-14)6-10(7-17(26)27)9-1-3-13(20)12(5-9)18(21,22)23/h1-5,8,10H,6-7H2,(H,24,25)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353648
(CHEMBL1829833)Show SMILES Cc1cc(Cl)cc2[nH]c(CC(CC(O)=O)c3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C18H16Cl2N2O2/c1-10-6-14(20)9-15-18(10)22-16(21-15)7-12(8-17(23)24)11-2-4-13(19)5-3-11/h2-6,9,12H,7-8H2,1H3,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353655
(CHEMBL1829834)Show SMILES OC(=O)CC(Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H13Cl3N2O2/c18-11-2-4-14-15(8-11)22-16(21-14)6-10(7-17(23)24)9-1-3-12(19)13(20)5-9/h1-5,8,10H,6-7H2,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353652
(CHEMBL1829842)Show SMILES CCCc1ccc(cc1)C(CC(O)=O)Cc1nc2ccc(I)cc2[nH]1 Show InChI InChI=1S/C20H21IN2O2/c1-2-3-13-4-6-14(7-5-13)15(11-20(24)25)10-19-22-17-9-8-16(21)12-18(17)23-19/h4-9,12,15H,2-3,10-11H2,1H3,(H,22,23)(H,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353654
(CHEMBL1829822)Show InChI InChI=1S/C17H14ClIN2O2/c18-12-3-1-10(2-4-12)11(8-17(22)23)7-16-20-14-6-5-13(19)9-15(14)21-16/h1-6,9,11H,7-8H2,(H,20,21)(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353654
(CHEMBL1829822)Show InChI InChI=1S/C17H14ClIN2O2/c18-12-3-1-10(2-4-12)11(8-17(22)23)7-16-20-14-6-5-13(19)9-15(14)21-16/h1-6,9,11H,7-8H2,(H,20,21)(H,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kB activation by luciferase reporter gene assay |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353647
(CHEMBL1829832)Show SMILES OC(=O)CC(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13Cl3N2O2/c18-11-3-1-9(2-4-11)10(6-16(23)24)5-15-21-14-8-12(19)7-13(20)17(14)22-15/h1-4,7-8,10H,5-6H2,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353655
(CHEMBL1829834)Show SMILES OC(=O)CC(Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H13Cl3N2O2/c18-11-2-4-14-15(8-11)22-16(21-14)6-10(7-17(23)24)9-1-3-12(19)13(20)5-9/h1-5,8,10H,6-7H2,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353650
(CHEMBL1829837)Show SMILES OC(=O)CC(Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C18H13Cl2F3N2O2/c19-11-2-4-14-15(8-11)25-16(24-14)6-10(7-17(26)27)9-1-3-13(20)12(5-9)18(21,22)23/h1-5,8,10H,6-7H2,(H,24,25)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
Protein kinase C zeta type
(Homo sapiens (Human)) | BDBM50353648
(CHEMBL1829833)Show SMILES Cc1cc(Cl)cc2[nH]c(CC(CC(O)=O)c3ccc(Cl)cc3)nc12 Show InChI InChI=1S/C18H16Cl2N2O2/c1-10-6-14(20)9-15-18(10)22-16(21-15)7-12(8-17(23)24)11-2-4-13(19)5-3-11/h2-6,9,12H,7-8H2,1H3,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Inhibition of human PKCzeta assessed as [gamma32P]ATP utilization using myelin basic protein as substrate |
J Med Chem 54: 6714-23 (2011)
Article DOI: 10.1021/jm2005892
BindingDB Entry DOI: 10.7270/Q2CJ8DVR |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50399645
(CHEMBL1213203)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C135H197N35O44S2/c1-9-67(5)107(129(210)148-69(7)109(190)158-92(60-104(184)185)123(204)162-91(122(203)167-96(65-215)132(213)214)59-73-63-147-77-29-18-17-27-75(73)77)169-126(207)90(58-72-33-35-74(172)36-34-72)161-125(206)94(62-106(188)189)164-121(202)89(57-71-25-15-12-16-26-71)160-124(205)93(61-105(186)187)163-111(192)78(30-20-51-145-134(140)141)149-120(201)88(56-70-23-13-11-14-24-70)159-117(198)85(49-54-216-8)155-116(197)83(40-46-101(178)179)151-112(193)80(37-43-98(137)173)150-113(194)81(38-44-99(174)175)152-114(195)82(39-45-100(176)177)153-115(196)84(41-47-102(180)181)154-127(208)95(64-171)166-119(200)87(55-66(3)4)165-130(211)108(68(6)10-2)168-118(199)79(31-21-52-146-135(142)143)156-128(209)97-32-22-53-170(97)131(212)86(42-48-103(182)183)157-110(191)76(136)28-19-50-144-133(138)139/h11-18,23-27,29,33-36,63,66-69,76,78-97,107-108,147,171-172,215H,9-10,19-22,28,30-32,37-62,64-65,136H2,1-8H3,(H2,137,173)(H,148,210)(H,149,201)(H,150,194)(H,151,193)(H,152,195)(H,153,196)(H,154,208)(H,155,197)(H,156,209)(H,157,191)(H,158,190)(H,159,198)(H,160,205)(H,161,206)(H,162,204)(H,163,192)(H,164,202)(H,165,211)(H,166,200)(H,167,203)(H,168,199)(H,169,207)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,213,214)(H4,138,139,144)(H4,140,141,145)(H4,142,143,146)/t67-,68-,69-,76-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,107-,108-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.42E+4 | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Increase in thermal stability of PDK1 by differential scanning fluorimetry |
J Med Chem 55: 9817-30 (2012)
Article DOI: 10.1021/jm3010477
BindingDB Entry DOI: 10.7270/Q2PV6MHW |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50399648
(CHEMBL2177686)Show SMILES OC(=O)C(C(CC(=O)c1ccc2c(c1)[nH]c1ccccc21)c1ccccc1)C(O)=O Show InChI InChI=1S/C24H19NO5/c26-21(13-18(14-6-2-1-3-7-14)22(23(27)28)24(29)30)15-10-11-17-16-8-4-5-9-19(16)25-20(17)12-15/h1-12,18,22,25H,13H2,(H,27,28)(H,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.02E+4 | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Increase in thermal stability of PDK1 by differential scanning fluorimetry |
J Med Chem 55: 9817-30 (2012)
Article DOI: 10.1021/jm3010477
BindingDB Entry DOI: 10.7270/Q2PV6MHW |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50399647
(CHEMBL2177670)Show SMILES OC(=O)C(C(CC(=O)c1ccc(I)cc1)c1ccccc1)C(O)=O Show InChI InChI=1S/C18H15IO5/c19-13-8-6-12(7-9-13)15(20)10-14(11-4-2-1-3-5-11)16(17(21)22)18(23)24/h1-9,14,16H,10H2,(H,21,22)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Increase in thermal stability of PDK1 by differential scanning fluorimetry |
J Med Chem 55: 9817-30 (2012)
Article DOI: 10.1021/jm3010477
BindingDB Entry DOI: 10.7270/Q2PV6MHW |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50399646
(CHEMBL2177668 | PS210)Show SMILES OC(=O)C(C(CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 8.58E+4 | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Increase in thermal stability of PDK1 by differential scanning fluorimetry |
J Med Chem 55: 9817-30 (2012)
Article DOI: 10.1021/jm3010477
BindingDB Entry DOI: 10.7270/Q2PV6MHW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50399645
(CHEMBL1213203)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C135H197N35O44S2/c1-9-67(5)107(129(210)148-69(7)109(190)158-92(60-104(184)185)123(204)162-91(122(203)167-96(65-215)132(213)214)59-73-63-147-77-29-18-17-27-75(73)77)169-126(207)90(58-72-33-35-74(172)36-34-72)161-125(206)94(62-106(188)189)164-121(202)89(57-71-25-15-12-16-26-71)160-124(205)93(61-105(186)187)163-111(192)78(30-20-51-145-134(140)141)149-120(201)88(56-70-23-13-11-14-24-70)159-117(198)85(49-54-216-8)155-116(197)83(40-46-101(178)179)151-112(193)80(37-43-98(137)173)150-113(194)81(38-44-99(174)175)152-114(195)82(39-45-100(176)177)153-115(196)84(41-47-102(180)181)154-127(208)95(64-171)166-119(200)87(55-66(3)4)165-130(211)108(68(6)10-2)168-118(199)79(31-21-52-146-135(142)143)156-128(209)97-32-22-53-170(97)131(212)86(42-48-103(182)183)157-110(191)76(136)28-19-50-144-133(138)139/h11-18,23-27,29,33-36,63,66-69,76,78-97,107-108,147,171-172,215H,9-10,19-22,28,30-32,37-62,64-65,136H2,1-8H3,(H2,137,173)(H,148,210)(H,149,201)(H,150,194)(H,151,193)(H,152,195)(H,153,196)(H,154,208)(H,155,197)(H,156,209)(H,157,191)(H,158,190)(H,159,198)(H,160,205)(H,161,206)(H,162,204)(H,163,192)(H,164,202)(H,165,211)(H,166,200)(H,167,203)(H,168,199)(H,169,207)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,213,214)(H4,138,139,144)(H4,140,141,145)(H4,142,143,146)/t67-,68-,69-,76-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,107-,108-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Binding affinity to PDK1 |
J Med Chem 55: 9817-30 (2012)
Article DOI: 10.1021/jm3010477
BindingDB Entry DOI: 10.7270/Q2PV6MHW |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50296956
((Z)-5-(1H-Indol-3-yl)-3-phenylpent-2-enoic Acid | ...)Show InChI InChI=1S/C19H17NO2/c21-19(22)12-15(14-6-2-1-3-7-14)10-11-16-13-20-18-9-5-4-8-17(16)18/h1-9,12-13,20H,10-11H2,(H,21,22)/b15-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry |
J Med Chem 52: 4683-93 (2009)
Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50296955
((Z)-5-(Naphthalen-2-yl)-3-phenylpent-2-enoic Acid ...)Show InChI InChI=1S/C21H18O2/c22-21(23)15-20(17-6-2-1-3-7-17)13-11-16-10-12-18-8-4-5-9-19(18)14-16/h1-10,12,14-15H,11,13H2,(H,22,23)/b20-15- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry |
J Med Chem 52: 4683-93 (2009)
Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50296954
((Z)-5-(4-bromo-2-fluorophenyl)-3-phenylpent-2-enoi...)Show InChI InChI=1S/C17H14BrFO2/c18-15-9-8-13(16(19)11-15)6-7-14(10-17(20)21)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,20,21)/b14-10- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry |
J Med Chem 52: 4683-93 (2009)
Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50296953
((Z)-5-(2,4-Dichlorophenyl)-3-phenylpent-2-enoic Ac...)Show InChI InChI=1S/C17H14Cl2O2/c18-15-9-8-13(16(19)11-15)6-7-14(10-17(20)21)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,20,21)/b14-10- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry |
J Med Chem 52: 4683-93 (2009)
Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50296952
((Z)-5-(3,4-Dichlorophenyl)-3-phenylpent-2-enoic Ac...)Show InChI InChI=1S/C17H14Cl2O2/c18-15-9-7-12(10-16(15)19)6-8-14(11-17(20)21)13-4-2-1-3-5-13/h1-5,7,9-11H,6,8H2,(H,20,21)/b14-11- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.39E+4 | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry |
J Med Chem 52: 4683-93 (2009)
Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50296951
((Z)-3-Phenyl-5-(4-(trifluoromethyl)phenyl)pent-2-e...)Show InChI InChI=1S/C18H15F3O2/c19-18(20,21)16-10-7-13(8-11-16)6-9-15(12-17(22)23)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,22,23)/b15-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry |
J Med Chem 52: 4683-93 (2009)
Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50399649
(CHEMBL2177659)Show SMILES OC(=O)C(C(CC(=O)c1ccc(I)cc1)c1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C22H17IO5/c23-17-9-7-14(8-10-17)19(24)12-18(20(21(25)26)22(27)28)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,18,20H,12H2,(H,25,26)(H,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Increase in thermal stability of PDK1 by differential scanning fluorimetry |
J Med Chem 55: 9817-30 (2012)
Article DOI: 10.1021/jm3010477
BindingDB Entry DOI: 10.7270/Q2PV6MHW |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50296949
((2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid ...)Show InChI InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry |
J Med Chem 52: 4683-93 (2009)
Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50296950
((Z)-5-(4-Bromophenyl)-3-phenylpent-2-enoic acid | ...)Show InChI InChI=1S/C17H15BrO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.09E+4 | n/a | n/a | n/a | n/a | n/a |
Saarland University
Curated by ChEMBL
| Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry |
J Med Chem 52: 4683-93 (2009)
Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC |
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Ligand-Target Pair | |
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